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1.
Molecules ; 26(15)2021 Aug 02.
Artículo en Inglés | MEDLINE | ID: mdl-34361829

RESUMEN

We have designed a new type of molecule with a noble gas (Ng = Kr and Xe) atom in a six-membered ring. Their structures and stability have been studied by density functional theory and by correlated electronic structure calculations. The results showed that the six-membered ring is planar with very short Ng-O and Ng-N polar covalent bonds. The calculated energy barriers for all the unimolecular dissociation pathways are higher than 20 and 35 kcal/mol for Ng = Kr and Xe, respectively. The current study suggests that these molecules and their derivatives might be synthesized and observable at cryogenic conditions.

2.
Polymers (Basel) ; 14(10)2022 May 15.
Artículo en Inglés | MEDLINE | ID: mdl-35631900

RESUMEN

Microcellular injection molding technology (MuCell®) using supercritical fluid (SCF) as a foaming agent offers many advantages, such as material and energy savings, low cycle time, cost-effectiveness, and the dimensional stability of products. MuCell® has attracted great attention for applications in the automotive, packaging, sporting goods, and electrical parts industries. In view of the environmental issues, the shoe industry, particularly for midsole parts, is also seriously considering using physical foaming to replace the chemical foaming process. MuCell® is thus becoming one potential processing candidate. Thermoplastic polyurethane (TPU) is a common material for molding the outsole of shoes because of its outstanding properties such as hardness, abrasion resistance, and elasticity. Although many shoe manufacturers have tried applying Mucell® processes to TPU midsoles, the main problem remaining to be overcome is the non-uniformity of the foaming cell size in the molded midsole. In this study, the MuCell® process combined with gas counter pressure (GCP) technology and dynamic mold temperature control (DMTC) were carried out for TPU molding. The influence of various molding parameters including SCF dosage, injection speed, mold temperature, gas counter pressure, and gas holding time on the foaming cell size and the associated size distribution under a target weight reduction of 60% were investigated in detail. Compared with the conventional MuCell® process, the implementation of GCP technology or DMTC led to significant improvement in foaming cell size reduction and size uniformity. Further improvement could be achieved by the simultaneous combination of GCP with DMT, and the resulting cell density was about fifty times higher. The successful possibility for the microcellular injection molding of TPU shoe midsoles is greatly enhanced.

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